Crystallography Open Database

Information card for entry 7230296

Preview

Coordinates	7230296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 Cu2 N4 O15 P4
Calculated formula	C40 H38 Cu2 N4 O15 P4
Title of publication	Mimicking cellular phospholipid bilayer packing creates predictable crystalline molecular metal‒organophosphonate macrocycles and cages
Authors of publication	Bulut, Aysun; Maares, Maria; Atak, Kaan; Zorlu, Yunus; Çoşut, Bünyemin; Zubieta, Jon; Beckmann, Jens; Haase, Hajo; Yücesan, Gündoğ
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	15
Pages of publication	2152
a	12.2401 ± 0.0004 Å
b	12.5701 ± 0.0004 Å
c	13.419 ± 0.0005 Å
α	93.658 ± 0.002°
β	94.07 ± 0.002°
γ	94.367 ± 0.002°
Cell volume	2048.47 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229098 (current)	2019-11-17	cif/ Updating files of 7230295, 7230296 Original log message: Adding full bibliography for 7230295--7230296.cif.	7230296.cif
206939	2018-03-14	cif/ Adding structures of 7230295, 7230296 via cif-deposit CGI script.	7230296.cif